HRID1280894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1oc(Cc2ccccc2Br)c(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)c1C

HCID12093943

未命名化合物

HCID14668531

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(Cc2ccccc2Br)c(C(=O)c2cc(C(C)C)c(OS(=O)(=O)c3ccc(C(=O)O)c(O)c3)c(C(C)C)c2)c1C

HCID10211880

未命名化合物

收率 47%

PROCEDURE

实验过程

The title compound was prepared according to the procedure in Example 4 using [2-(2-bromo-benzyl)-4,5-dimethyl-furan-3-yl]-(3,5-diisopropyl-4-hydroxy-phenyl)-methanone (0.300 g, 0.639 mmol) and 4-chlorosulphonyl-2-hydroxybenzoic acid (0.197 g, 0.831 mmol). Purification on Dynamax C18 (90% CH3CN/H2O) gave 0.20 g (47%) of the title compound as a yellow solid, mp 90-95” C. 1H NMR (DMSO-d6) δ 1.06 (d, 12H), 1.85 (s, 3H), 2.19 (s, 3H), 3.07 (septet, 2H), 3.91 (s, 2H), 7.14-7.16 (m, 2H), 7.29 (dt, 1H), 7.44 (d, 1H), 7.47-7.52 (m, 4H), 8.05 (d, 1H). IR (KBr) 3400, 2950, 1690, 1380 and 1190 cm−1. mass spectrum (−ESI) m/z 667/669 (M−H). Anal. Calcd. for C33H33BrO8S: C, 59.19; H, 4.97; N, 0.00. Found: C, 58.82; H, 5.13; N, 0.13.

WORKUP

后处理

customThe title compound was prepared
customPurification on Dynamax C18 (90% CH3CN/H2O)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e35709d39bc74aa2a0493e01e34506c1
来源数据集: uspto-grants-2002_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06451845B1
来源说明: uspto-grants-2002_09

反应 SMILES

[Br:1][C:2]1[CH:30]=[CH:29][CH:28]=[CH:27][C:3]=1[CH2:4][C:5]1[O:6][C:7]([CH3:26])=[C:8]([CH3:25])[C:9]=1[C:10]([C:12]1[CH:17]=[C:16]([CH:18]([CH3:20])[CH3:19])[C:15]([OH:21])=[C:14]([CH:22]([CH3:24])[CH3:23])[CH:13]=1)=[O:11].Cl[S:32]([C:35]1[CH:43]=[CH:42][C:38]([C:39]([OH:41])=[O:40])=[C:37]([OH:44])[CH:36]=1)(=[O:34])=[O:33]>>[Br:1][C:2]1[CH:30]=[CH:29][CH:28]=[CH:27][C:3]=1[CH2:4][C:5]1[O:6][C:7]([CH3:26])=[C:8]([CH3:25])[C:9]=1[C:10]([C:12]1[CH:17]=[C:16]([CH:18]([CH3:19])[CH3:20])[C:15]([O:21][S:32]([C:35]2[CH:43]=[CH:42][C:38]([C:39]([OH:41])=[O:40])=[C:37]([OH:44])[CH:36]=2)(=[O:34])=[O:33])=[C:14]([CH:22]([CH3:23])[CH3:24])[CH:13]=1)=[O:11]